1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

C22H22N6O3 — CID 54671243

About 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 54671243) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
• PubChem CID: 54671243
• Molecular Formula: C22H22N6O3
• Molecular Weight: 418.46 g/mol
• Exact Mass: 418.18
• IUPAC Name: 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
• SMILES: CC(=O)N1CC=C(c2nccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)CC1
• InChI: InChI=1S/C22H22N6O3/c1-14(29)27-10-6-15(7-11-27)19-21(24-9-8-23-19)31-16-12-28(13-16)22(30)20-25-17-4-2-3-5-18(17)26-20/h2-6,8-9,16H,7,10-13H2,1H3,(H,25,26)
• InChIKey: JQCUNLCTXIYXAN-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 104.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.46
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?

The IUPAC name of 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 54671243) is 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.

What is the SMILES notation for 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?

The canonical SMILES for 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1CC=C(c2nccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)CC1.

What is the InChIKey of 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?

The InChIKey is JQCUNLCTXIYXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-14(29)27-10-6-15(7-11-27)19-21(24-9-8-23-19)31-16-12-28(13-16)22(30)20-25-17-4-2-3-5-18(17)26-20/h2-6,8-9,16H,7,10-13H2,1H3,(H,25,26).

What are the key properties of 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?

1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 418.46 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 54671243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).